USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 MLZ H2 : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLZ H : B 4 MLZ N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 908 GLN : amide:sc= 2.48 K(o=3.2,f=-5.6!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.722 K(o=3.2,f=-6.6!) USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 159:sc= 0.563 USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 THR OG1 : rot 110:sc= 0.354 USER MOD Single : A 863 SER OG : rot 143:sc= 0.388 USER MOD Single : A 873 LYS NZ :NH3+ -167:sc= 2.08 (180deg=1.63) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 888 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot -120:sc= 0.376 USER MOD Single : A 894 MET CE :methyl 174:sc= 0 (180deg=-0.0515) USER MOD Single : A 895 ASN : amide:sc= 1.91 K(o=1.9,f=0) USER MOD Single : A 896 ASN : amide:sc= 0.466 K(o=0.47,f=-4.2!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot -112:sc= 0.202 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= 0.419 K(o=0.42,f=-4.3!) USER MOD Single : A 923 GLN : amide:sc= 0.888 K(o=0.89,f=-5!) USER MOD Single : B 1 ALA N :NH3+ -157:sc= 0.406 (180deg=-0.0884) USER MOD Single : B 3 THR OG1 : rot -142:sc= -0.132 USER MOD Single : B 5 GLN : amide:sc= 0.301 K(o=0.3,f=-3.6!) USER MOD Single : B 6 THR OG1 : rot -102:sc= 0.349 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 -3.767 -4.549 -3.223 1.00 0.00 N ATOM 2 CA GLY A 850 -2.803 -5.647 -3.452 1.00 0.00 C ATOM 3 C GLY A 850 -1.940 -5.373 -4.671 1.00 0.00 C ATOM 4 O GLY A 850 -2.464 -5.184 -5.768 1.00 0.00 O ATOM 0 HA2 GLY A 850 -2.169 -5.767 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -3.341 -6.585 -3.587 1.00 0.00 H new ATOM 10 N SER A 851 -0.613 -5.352 -4.515 1.00 0.00 N ATOM 11 CA SER A 851 0.340 -4.847 -5.531 1.00 0.00 C ATOM 12 C SER A 851 0.422 -5.644 -6.839 1.00 0.00 C ATOM 13 O SER A 851 0.922 -5.145 -7.848 1.00 0.00 O ATOM 14 CB SER A 851 1.742 -4.722 -4.918 1.00 0.00 C ATOM 15 OG SER A 851 1.690 -3.970 -3.714 1.00 0.00 O ATOM 0 H SER A 851 -0.155 -5.689 -3.668 1.00 0.00 H new ATOM 0 HA SER A 851 -0.063 -3.876 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 851 2.148 -5.713 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 851 2.414 -4.239 -5.627 1.00 0.00 H new ATOM 0 HG SER A 851 2.590 -3.900 -3.333 1.00 0.00 H new ATOM 21 N ARG A 852 -0.119 -6.865 -6.842 1.00 0.00 N ATOM 22 CA ARG A 852 -0.304 -7.718 -8.037 1.00 0.00 C ATOM 23 C ARG A 852 -1.456 -7.239 -8.935 1.00 0.00 C ATOM 24 O ARG A 852 -1.453 -7.526 -10.132 1.00 0.00 O ATOM 25 CB ARG A 852 -0.518 -9.188 -7.615 1.00 0.00 C ATOM 26 CG ARG A 852 0.782 -9.965 -7.336 1.00 0.00 C ATOM 27 CD ARG A 852 1.613 -9.426 -6.163 1.00 0.00 C ATOM 28 NE ARG A 852 2.763 -10.304 -5.866 1.00 0.00 N ATOM 29 CZ ARG A 852 3.959 -10.284 -6.431 1.00 0.00 C ATOM 30 NH1 ARG A 852 4.274 -9.441 -7.375 1.00 0.00 N1+ ATOM 31 NH2 ARG A 852 4.878 -11.125 -6.052 1.00 0.00 N ATOM 0 H ARG A 852 -0.454 -7.309 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 852 0.607 -7.642 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -1.139 -9.210 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -1.073 -9.702 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 852 0.531 -11.007 -7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 852 1.397 -9.952 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 852 1.971 -8.424 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 852 0.982 -9.339 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 852 2.618 -11.007 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 852 3.586 -8.763 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 852 5.208 -9.459 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 852 4.677 -11.803 -5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 852 5.799 -11.106 -6.490 1.00 0.00 H new ATOM 45 N ARG A 853 -2.446 -6.529 -8.377 1.00 0.00 N ATOM 46 CA ARG A 853 -3.573 -5.877 -9.082 1.00 0.00 C ATOM 47 C ARG A 853 -3.503 -4.347 -9.115 1.00 0.00 C ATOM 48 O ARG A 853 -4.244 -3.735 -9.873 1.00 0.00 O ATOM 49 CB ARG A 853 -4.899 -6.353 -8.474 1.00 0.00 C ATOM 50 CG ARG A 853 -5.211 -7.858 -8.609 1.00 0.00 C ATOM 51 CD ARG A 853 -5.380 -8.369 -10.049 1.00 0.00 C ATOM 52 NE ARG A 853 -4.100 -8.476 -10.778 1.00 0.00 N ATOM 53 CZ ARG A 853 -3.914 -8.668 -12.069 1.00 0.00 C ATOM 54 NH1 ARG A 853 -4.870 -9.005 -12.880 1.00 0.00 N1+ ATOM 55 NH2 ARG A 853 -2.733 -8.506 -12.582 1.00 0.00 N ATOM 0 H ARG A 853 -2.490 -6.383 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 853 -3.503 -6.182 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 853 -4.901 -6.097 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 853 -5.710 -5.792 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 853 -4.409 -8.422 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 853 -6.125 -8.074 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 853 -5.862 -9.346 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 853 -6.045 -7.697 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 853 -3.255 -8.391 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 853 -5.818 -9.133 -12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 853 -4.673 -9.142 -13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 853 -1.952 -8.231 -11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 853 -2.586 -8.654 -13.580 1.00 0.00 H new ATOM 69 N ALA A 854 -2.603 -3.742 -8.349 1.00 0.00 N ATOM 70 CA ALA A 854 -2.123 -2.352 -8.493 1.00 0.00 C ATOM 71 C ALA A 854 -3.199 -1.264 -8.274 1.00 0.00 C ATOM 72 O ALA A 854 -4.175 -1.471 -7.552 1.00 0.00 O ATOM 73 CB ALA A 854 -1.357 -2.254 -9.828 1.00 0.00 C ATOM 0 H ALA A 854 -2.159 -4.223 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.439 -2.126 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.989 -1.237 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.515 -2.946 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -2.025 -2.510 -10.650 1.00 0.00 H new ATOM 79 N SER A 855 -2.990 -0.078 -8.841 1.00 0.00 N ATOM 80 CA SER A 855 -3.852 1.116 -8.718 1.00 0.00 C ATOM 81 C SER A 855 -4.070 1.861 -10.047 1.00 0.00 C ATOM 82 O SER A 855 -3.557 1.465 -11.098 1.00 0.00 O ATOM 83 CB SER A 855 -3.276 2.066 -7.662 1.00 0.00 C ATOM 84 OG SER A 855 -1.990 2.535 -8.030 1.00 0.00 O ATOM 0 H SER A 855 -2.176 0.095 -9.431 1.00 0.00 H new ATOM 0 HA SER A 855 -4.835 0.760 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 855 -3.949 2.913 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 855 -3.216 1.552 -6.703 1.00 0.00 H new ATOM 0 HG SER A 855 -1.793 3.364 -7.546 1.00 0.00 H new ATOM 90 N VAL A 856 -4.876 2.931 -10.006 1.00 0.00 N ATOM 91 CA VAL A 856 -5.195 3.815 -11.148 1.00 0.00 C ATOM 92 C VAL A 856 -5.594 5.232 -10.692 1.00 0.00 C ATOM 93 O VAL A 856 -6.083 5.417 -9.575 1.00 0.00 O ATOM 94 CB VAL A 856 -6.293 3.177 -12.031 1.00 0.00 C ATOM 95 CG1 VAL A 856 -7.679 3.204 -11.373 1.00 0.00 C ATOM 96 CG2 VAL A 856 -6.390 3.827 -13.417 1.00 0.00 C ATOM 0 H VAL A 856 -5.344 3.220 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 856 -4.290 3.924 -11.745 1.00 0.00 H new ATOM 0 HB VAL A 856 -5.981 2.139 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 856 -8.407 2.743 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 856 -7.647 2.652 -10.434 1.00 0.00 H new ATOM 0 HG13 VAL A 856 -7.969 4.236 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 856 -7.176 3.340 -13.993 1.00 0.00 H new ATOM 0 HG22 VAL A 856 -6.624 4.886 -13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 856 -5.438 3.718 -13.937 1.00 0.00 H new ATOM 106 N GLY A 857 -5.430 6.223 -11.574 1.00 0.00 N ATOM 107 CA GLY A 857 -5.964 7.589 -11.447 1.00 0.00 C ATOM 108 C GLY A 857 -7.189 7.829 -12.344 1.00 0.00 C ATOM 109 O GLY A 857 -7.160 8.707 -13.208 1.00 0.00 O ATOM 0 H GLY A 857 -4.899 6.093 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 857 -6.237 7.774 -10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 857 -5.184 8.306 -11.704 1.00 0.00 H new ATOM 113 N SER A 858 -8.238 7.012 -12.197 1.00 0.00 N ATOM 114 CA SER A 858 -9.470 7.052 -12.997 1.00 0.00 C ATOM 115 C SER A 858 -10.340 8.288 -12.711 1.00 0.00 C ATOM 116 O SER A 858 -10.228 8.949 -11.674 1.00 0.00 O ATOM 117 CB SER A 858 -10.275 5.763 -12.768 1.00 0.00 C ATOM 118 OG SER A 858 -10.550 5.573 -11.389 1.00 0.00 O ATOM 0 H SER A 858 -8.254 6.276 -11.491 1.00 0.00 H new ATOM 0 HA SER A 858 -9.172 7.126 -14.043 1.00 0.00 H new ATOM 0 HB2 SER A 858 -11.210 5.810 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 858 -9.718 4.909 -13.152 1.00 0.00 H new ATOM 0 HG SER A 858 -11.064 4.748 -11.269 1.00 0.00 H new ATOM 124 N GLU A 859 -11.218 8.606 -13.661 1.00 0.00 N ATOM 125 CA GLU A 859 -12.236 9.660 -13.557 1.00 0.00 C ATOM 126 C GLU A 859 -13.507 9.162 -12.845 1.00 0.00 C ATOM 127 O GLU A 859 -13.841 7.976 -12.876 1.00 0.00 O ATOM 128 CB GLU A 859 -12.593 10.204 -14.954 1.00 0.00 C ATOM 129 CG GLU A 859 -11.418 10.850 -15.710 1.00 0.00 C ATOM 130 CD GLU A 859 -10.756 12.035 -14.969 1.00 0.00 C ATOM 131 OE1 GLU A 859 -9.526 12.235 -15.123 1.00 0.00 O ATOM 132 OE2 GLU A 859 -11.454 12.803 -14.262 1.00 0.00 O1- ATOM 0 H GLU A 859 -11.244 8.121 -14.558 1.00 0.00 H new ATOM 0 HA GLU A 859 -11.811 10.463 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 859 -12.991 9.387 -15.557 1.00 0.00 H new ATOM 0 HB3 GLU A 859 -13.390 10.941 -14.850 1.00 0.00 H new ATOM 0 HG2 GLU A 859 -10.662 10.088 -15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 859 -11.773 11.197 -16.681 1.00 0.00 H new ATOM 139 N PHE A 860 -14.235 10.085 -12.212 1.00 0.00 N ATOM 140 CA PHE A 860 -15.413 9.765 -11.394 1.00 0.00 C ATOM 141 C PHE A 860 -16.645 9.353 -12.217 1.00 0.00 C ATOM 142 O PHE A 860 -17.255 8.328 -11.919 1.00 0.00 O ATOM 143 CB PHE A 860 -15.746 10.958 -10.488 1.00 0.00 C ATOM 144 CG PHE A 860 -14.601 11.405 -9.594 1.00 0.00 C ATOM 145 CD1 PHE A 860 -14.135 10.562 -8.565 1.00 0.00 C ATOM 146 CD2 PHE A 860 -13.981 12.653 -9.805 1.00 0.00 C ATOM 147 CE1 PHE A 860 -13.052 10.961 -7.760 1.00 0.00 C ATOM 148 CE2 PHE A 860 -12.903 13.054 -8.996 1.00 0.00 C ATOM 149 CZ PHE A 860 -12.437 12.208 -7.975 1.00 0.00 C ATOM 0 H PHE A 860 -14.024 11.082 -12.251 1.00 0.00 H new ATOM 0 HA PHE A 860 -15.154 8.893 -10.793 1.00 0.00 H new ATOM 0 HB2 PHE A 860 -16.053 11.798 -11.111 1.00 0.00 H new ATOM 0 HB3 PHE A 860 -16.599 10.697 -9.862 1.00 0.00 H new ATOM 0 HD1 PHE A 860 -14.610 9.607 -8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 860 -14.335 13.304 -10.591 1.00 0.00 H new ATOM 0 HE1 PHE A 860 -12.693 10.310 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 860 -12.433 14.013 -9.159 1.00 0.00 H new ATOM 0 HZ PHE A 860 -11.607 12.515 -7.356 1.00 0.00 H new ATOM 159 N THR A 861 -17.003 10.148 -13.239 1.00 0.00 N ATOM 160 CA THR A 861 -18.249 10.042 -14.039 1.00 0.00 C ATOM 161 C THR A 861 -19.517 9.920 -13.160 1.00 0.00 C ATOM 162 O THR A 861 -19.549 10.452 -12.049 1.00 0.00 O ATOM 163 CB THR A 861 -18.103 9.005 -15.181 1.00 0.00 C ATOM 164 OG1 THR A 861 -19.194 9.087 -16.074 1.00 0.00 O ATOM 165 CG2 THR A 861 -18.008 7.542 -14.759 1.00 0.00 C ATOM 0 H THR A 861 -16.410 10.918 -13.549 1.00 0.00 H new ATOM 0 HA THR A 861 -18.409 10.988 -14.556 1.00 0.00 H new ATOM 0 HB THR A 861 -17.150 9.279 -15.633 1.00 0.00 H new ATOM 0 HG1 THR A 861 -18.890 9.458 -16.928 1.00 0.00 H new ATOM 0 HG21 THR A 861 -17.909 6.914 -15.644 1.00 0.00 H new ATOM 0 HG22 THR A 861 -17.138 7.404 -14.117 1.00 0.00 H new ATOM 0 HG23 THR A 861 -18.909 7.261 -14.214 1.00 0.00 H new ATOM 173 N GLU A 862 -20.592 9.300 -13.656 1.00 0.00 N ATOM 174 CA GLU A 862 -21.842 9.031 -12.915 1.00 0.00 C ATOM 175 C GLU A 862 -21.896 7.610 -12.326 1.00 0.00 C ATOM 176 O GLU A 862 -22.355 7.411 -11.200 1.00 0.00 O ATOM 177 CB GLU A 862 -23.061 9.281 -13.818 1.00 0.00 C ATOM 178 CG GLU A 862 -23.118 10.747 -14.268 1.00 0.00 C ATOM 179 CD GLU A 862 -24.377 11.087 -15.095 1.00 0.00 C ATOM 180 OE1 GLU A 862 -24.246 11.712 -16.176 1.00 0.00 O ATOM 181 OE2 GLU A 862 -25.514 10.779 -14.656 1.00 0.00 O1- ATOM 0 H GLU A 862 -20.624 8.957 -14.616 1.00 0.00 H new ATOM 0 HA GLU A 862 -21.863 9.722 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -23.011 8.630 -14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -23.975 9.025 -13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -23.085 11.391 -13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -22.231 10.972 -14.861 1.00 0.00 H new ATOM 188 N SER A 863 -21.374 6.631 -13.068 1.00 0.00 N ATOM 189 CA SER A 863 -21.196 5.224 -12.666 1.00 0.00 C ATOM 190 C SER A 863 -20.015 4.573 -13.398 1.00 0.00 C ATOM 191 O SER A 863 -19.871 4.705 -14.617 1.00 0.00 O ATOM 192 CB SER A 863 -22.462 4.392 -12.918 1.00 0.00 C ATOM 193 OG SER A 863 -23.527 4.778 -12.070 1.00 0.00 O ATOM 0 H SER A 863 -21.045 6.802 -14.018 1.00 0.00 H new ATOM 0 HA SER A 863 -20.991 5.238 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.768 4.503 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.239 3.336 -12.763 1.00 0.00 H new ATOM 0 HG SER A 863 -24.373 4.724 -12.562 1.00 0.00 H new ATOM 199 N ALA A 864 -19.201 3.821 -12.657 1.00 0.00 N ATOM 200 CA ALA A 864 -17.923 3.238 -13.093 1.00 0.00 C ATOM 201 C ALA A 864 -17.846 1.728 -12.778 1.00 0.00 C ATOM 202 O ALA A 864 -18.821 1.141 -12.315 1.00 0.00 O ATOM 203 CB ALA A 864 -16.804 4.035 -12.401 1.00 0.00 C ATOM 0 H ALA A 864 -19.422 3.588 -11.689 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.819 3.310 -14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.835 3.634 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.869 5.083 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.915 3.954 -11.320 1.00 0.00 H new ATOM 209 N TRP A 865 -16.700 1.084 -13.011 1.00 0.00 N ATOM 210 CA TRP A 865 -16.392 -0.242 -12.448 1.00 0.00 C ATOM 211 C TRP A 865 -15.381 -0.149 -11.291 1.00 0.00 C ATOM 212 O TRP A 865 -14.784 0.899 -11.039 1.00 0.00 O ATOM 213 CB TRP A 865 -15.929 -1.191 -13.560 1.00 0.00 C ATOM 214 CG TRP A 865 -16.952 -1.496 -14.619 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.315 -0.667 -15.622 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.770 -2.699 -14.794 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.289 -1.264 -16.398 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.605 -2.531 -15.938 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.847 -3.941 -14.126 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.480 -3.540 -16.381 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.703 -4.970 -14.573 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.530 -4.768 -15.690 1.00 0.00 C ATOM 0 H TRP A 865 -15.955 1.464 -13.596 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.303 -0.657 -12.016 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.052 -0.758 -14.041 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.612 -2.129 -13.104 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.904 0.317 -15.792 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.722 -0.825 -17.210 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.236 -4.107 -13.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.108 -3.375 -17.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.722 -5.917 -14.054 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.200 -5.549 -16.018 1.00 0.00 H new ATOM 233 N VAL A 866 -15.188 -1.270 -10.595 1.00 0.00 N ATOM 234 CA VAL A 866 -14.127 -1.497 -9.598 1.00 0.00 C ATOM 235 C VAL A 866 -13.653 -2.951 -9.671 1.00 0.00 C ATOM 236 O VAL A 866 -14.455 -3.847 -9.952 1.00 0.00 O ATOM 237 CB VAL A 866 -14.591 -1.090 -8.183 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.784 -1.912 -7.683 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.475 -1.181 -7.138 1.00 0.00 C ATOM 0 H VAL A 866 -15.791 -2.084 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.274 -0.859 -9.829 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.895 -0.049 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.062 -1.578 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.628 -1.776 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.511 -2.967 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.863 -0.882 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.110 -2.207 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.657 -0.519 -7.421 1.00 0.00 H new ATOM 249 N ARG A 867 -12.349 -3.181 -9.475 1.00 0.00 N ATOM 250 CA ARG A 867 -11.735 -4.520 -9.423 1.00 0.00 C ATOM 251 C ARG A 867 -11.584 -5.038 -7.984 1.00 0.00 C ATOM 252 O ARG A 867 -11.342 -4.248 -7.071 1.00 0.00 O ATOM 253 CB ARG A 867 -10.374 -4.490 -10.133 1.00 0.00 C ATOM 254 CG ARG A 867 -10.035 -5.780 -10.887 1.00 0.00 C ATOM 255 CD ARG A 867 -8.572 -5.826 -11.331 1.00 0.00 C ATOM 256 NE ARG A 867 -8.394 -7.013 -12.176 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.672 -7.114 -13.270 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.781 -6.241 -13.625 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -7.827 -8.126 -14.065 1.00 0.00 N ATOM 0 H ARG A 867 -11.674 -2.427 -9.345 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.401 -5.213 -9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.361 -3.657 -10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.595 -4.297 -9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.245 -6.638 -10.248 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.680 -5.868 -11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.312 -4.923 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.912 -5.872 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.887 -7.856 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.610 -5.421 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.251 -6.374 -14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -8.512 -8.849 -13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -7.264 -8.200 -14.913 1.00 0.00 H new ATOM 273 N CYS A 868 -11.634 -6.356 -7.792 1.00 0.00 N ATOM 274 CA CYS A 868 -11.321 -7.021 -6.532 1.00 0.00 C ATOM 275 C CYS A 868 -9.796 -7.046 -6.247 1.00 0.00 C ATOM 276 O CYS A 868 -9.006 -7.547 -7.053 1.00 0.00 O ATOM 277 CB CYS A 868 -11.960 -8.415 -6.578 1.00 0.00 C ATOM 278 SG CYS A 868 -11.714 -9.320 -5.012 1.00 0.00 S ATOM 0 H CYS A 868 -11.901 -7.007 -8.531 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.737 -6.466 -5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.027 -8.320 -6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.529 -8.986 -7.400 1.00 0.00 H new ATOM 283 N ASP A 869 -9.391 -6.530 -5.083 1.00 0.00 N ATOM 284 CA ASP A 869 -8.032 -6.640 -4.534 1.00 0.00 C ATOM 285 C ASP A 869 -7.647 -8.049 -4.024 1.00 0.00 C ATOM 286 O ASP A 869 -6.472 -8.269 -3.718 1.00 0.00 O ATOM 287 CB ASP A 869 -7.860 -5.598 -3.410 1.00 0.00 C ATOM 288 CG ASP A 869 -7.530 -4.205 -3.958 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.391 -3.298 -3.955 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.372 -4.002 -4.396 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.020 -6.006 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.350 -6.446 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.776 -5.547 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.065 -5.920 -2.737 1.00 0.00 H new ATOM 295 N ASP A 870 -8.583 -9.004 -3.923 1.00 0.00 N ATOM 296 CA ASP A 870 -8.329 -10.354 -3.377 1.00 0.00 C ATOM 297 C ASP A 870 -8.333 -11.460 -4.452 1.00 0.00 C ATOM 298 O ASP A 870 -7.555 -12.413 -4.352 1.00 0.00 O ATOM 299 CB ASP A 870 -9.330 -10.664 -2.254 1.00 0.00 C ATOM 300 CG ASP A 870 -8.979 -11.930 -1.441 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.910 -12.678 -1.057 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.788 -12.155 -1.116 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.549 -8.864 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.319 -10.347 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.379 -9.811 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.323 -10.785 -2.687 1.00 0.00 H new ATOM 307 N CYS A 871 -9.141 -11.303 -5.510 1.00 0.00 N ATOM 308 CA CYS A 871 -8.999 -12.029 -6.767 1.00 0.00 C ATOM 309 C CYS A 871 -8.616 -11.062 -7.920 1.00 0.00 C ATOM 310 O CYS A 871 -7.469 -10.618 -8.018 1.00 0.00 O ATOM 311 CB CYS A 871 -10.192 -13.010 -6.963 1.00 0.00 C ATOM 312 SG CYS A 871 -11.825 -12.327 -7.453 1.00 0.00 S ATOM 0 H CYS A 871 -9.926 -10.652 -5.509 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.146 -12.707 -6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.899 -13.740 -7.718 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.329 -13.555 -6.029 1.00 0.00 H new ATOM 317 N PHE A 872 -9.584 -10.753 -8.778 1.00 0.00 N ATOM 318 CA PHE A 872 -9.474 -9.902 -9.976 1.00 0.00 C ATOM 319 C PHE A 872 -10.812 -9.493 -10.633 1.00 0.00 C ATOM 320 O PHE A 872 -10.790 -8.758 -11.623 1.00 0.00 O ATOM 321 CB PHE A 872 -8.635 -10.633 -11.031 1.00 0.00 C ATOM 322 CG PHE A 872 -9.215 -11.946 -11.533 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.126 -11.959 -12.610 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.851 -13.160 -10.918 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.673 -13.174 -13.060 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.398 -14.375 -11.370 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.310 -14.382 -12.440 1.00 0.00 C ATOM 0 H PHE A 872 -10.531 -11.110 -8.654 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.014 -8.978 -9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.495 -9.968 -11.883 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.647 -10.828 -10.613 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.404 -11.033 -13.091 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.150 -13.158 -10.097 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -11.373 -13.179 -13.883 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.117 -15.303 -10.895 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.731 -15.315 -12.785 1.00 0.00 H new ATOM 337 N LYS A 873 -11.943 -9.989 -10.122 1.00 0.00 N ATOM 338 CA LYS A 873 -13.329 -9.726 -10.560 1.00 0.00 C ATOM 339 C LYS A 873 -13.627 -8.241 -10.763 1.00 0.00 C ATOM 340 O LYS A 873 -13.087 -7.402 -10.047 1.00 0.00 O ATOM 341 CB LYS A 873 -14.282 -10.248 -9.472 1.00 0.00 C ATOM 342 CG LYS A 873 -15.745 -10.403 -9.907 1.00 0.00 C ATOM 343 CD LYS A 873 -16.200 -11.865 -9.943 1.00 0.00 C ATOM 344 CE LYS A 873 -16.391 -12.344 -8.505 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.595 -13.801 -8.425 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.918 -10.634 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.465 -10.226 -11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.918 -11.215 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.243 -9.569 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.384 -9.845 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.874 -9.962 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -17.131 -11.959 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.459 -12.481 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.518 -12.068 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.248 -11.834 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.936 -14.052 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.298 -14.092 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.695 -14.288 -8.610 1.00 0.00 H new ATOM 359 N TRP A 874 -14.559 -7.939 -11.659 1.00 0.00 N ATOM 360 CA TRP A 874 -15.110 -6.602 -11.880 1.00 0.00 C ATOM 361 C TRP A 874 -16.548 -6.460 -11.373 1.00 0.00 C ATOM 362 O TRP A 874 -17.334 -7.406 -11.443 1.00 0.00 O ATOM 363 CB TRP A 874 -15.032 -6.269 -13.371 1.00 0.00 C ATOM 364 CG TRP A 874 -13.658 -6.363 -13.943 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.158 -7.397 -14.654 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.564 -5.415 -13.798 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.840 -7.145 -14.976 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.428 -5.934 -14.480 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.421 -4.167 -13.160 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.207 -5.259 -14.527 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.193 -3.484 -13.213 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.084 -4.019 -13.884 1.00 0.00 C ATOM 0 H TRP A 874 -14.968 -8.642 -12.275 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.512 -5.896 -11.304 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.689 -6.945 -13.918 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.411 -5.259 -13.527 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.706 -8.286 -14.929 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.248 -7.778 -15.514 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.256 -3.734 -12.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.366 -5.687 -15.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.102 -2.525 -12.725 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.147 -3.483 -13.905 1.00 0.00 H new ATOM 383 N ARG A 875 -16.922 -5.250 -10.937 1.00 0.00 N ATOM 384 CA ARG A 875 -18.294 -4.880 -10.550 1.00 0.00 C ATOM 385 C ARG A 875 -18.624 -3.446 -10.943 1.00 0.00 C ATOM 386 O ARG A 875 -17.800 -2.558 -10.742 1.00 0.00 O ATOM 387 CB ARG A 875 -18.498 -5.071 -9.036 1.00 0.00 C ATOM 388 CG ARG A 875 -18.711 -6.532 -8.606 1.00 0.00 C ATOM 389 CD ARG A 875 -19.884 -7.242 -9.292 1.00 0.00 C ATOM 390 NE ARG A 875 -21.125 -6.429 -9.295 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.804 -6.024 -10.352 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.453 -6.308 -11.570 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.858 -5.283 -10.238 1.00 0.00 N ATOM 0 H ARG A 875 -16.262 -4.479 -10.840 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.973 -5.540 -11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.630 -4.673 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.359 -4.482 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.798 -7.092 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.869 -6.559 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.608 -7.480 -10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.076 -8.188 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.492 -6.154 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -20.618 -6.868 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.012 -5.971 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.183 -4.997 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.364 -4.984 -11.072 1.00 0.00 H new ATOM 407 N ARG A 876 -19.821 -3.229 -11.497 1.00 0.00 N ATOM 408 CA ARG A 876 -20.358 -1.908 -11.865 1.00 0.00 C ATOM 409 C ARG A 876 -20.941 -1.227 -10.620 1.00 0.00 C ATOM 410 O ARG A 876 -21.789 -1.798 -9.935 1.00 0.00 O ATOM 411 CB ARG A 876 -21.364 -2.069 -13.028 1.00 0.00 C ATOM 412 CG ARG A 876 -21.261 -0.950 -14.079 1.00 0.00 C ATOM 413 CD ARG A 876 -21.747 0.412 -13.576 1.00 0.00 C ATOM 414 NE ARG A 876 -21.383 1.494 -14.508 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.088 1.962 -15.521 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.209 1.441 -15.919 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -21.673 2.998 -16.181 1.00 0.00 N ATOM 0 H ARG A 876 -20.466 -3.990 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.570 -1.249 -12.231 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.197 -3.031 -13.513 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.376 -2.087 -12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.223 -0.860 -14.401 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.843 -1.233 -14.956 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -22.829 0.389 -13.449 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.315 0.614 -12.596 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.477 1.935 -14.351 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.590 0.624 -15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.709 1.848 -16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -20.799 3.454 -15.918 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.220 3.357 -16.963 1.00 0.00 H new ATOM 431 N ILE A 877 -20.466 -0.018 -10.333 1.00 0.00 N ATOM 432 CA ILE A 877 -20.764 0.787 -9.138 1.00 0.00 C ATOM 433 C ILE A 877 -21.182 2.220 -9.512 1.00 0.00 C ATOM 434 O ILE A 877 -20.766 2.722 -10.560 1.00 0.00 O ATOM 435 CB ILE A 877 -19.533 0.816 -8.198 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.302 1.471 -8.875 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.234 -0.604 -7.686 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.112 1.700 -7.942 1.00 0.00 C ATOM 0 H ILE A 877 -19.823 0.461 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.602 0.322 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.767 1.444 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.981 0.841 -9.704 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.604 2.428 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.367 -0.578 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.097 -0.982 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.026 -1.259 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.297 2.161 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.411 2.357 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.779 0.745 -7.536 1.00 0.00 H new ATOM 450 N PRO A 878 -21.938 2.935 -8.661 1.00 0.00 N ATOM 451 CA PRO A 878 -22.092 4.378 -8.805 1.00 0.00 C ATOM 452 C PRO A 878 -20.774 5.105 -8.505 1.00 0.00 C ATOM 453 O PRO A 878 -19.980 4.677 -7.661 1.00 0.00 O ATOM 454 CB PRO A 878 -23.206 4.761 -7.825 1.00 0.00 C ATOM 455 CG PRO A 878 -23.050 3.729 -6.709 1.00 0.00 C ATOM 456 CD PRO A 878 -22.610 2.468 -7.454 1.00 0.00 C ATOM 0 HA PRO A 878 -22.351 4.668 -9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.085 5.779 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.190 4.707 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.308 4.041 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.986 3.573 -6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.940 1.865 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.466 1.841 -7.701 1.00 0.00 H new ATOM 464 N ALA A 879 -20.556 6.256 -9.142 1.00 0.00 N ATOM 465 CA ALA A 879 -19.402 7.126 -8.884 1.00 0.00 C ATOM 466 C ALA A 879 -19.227 7.564 -7.413 1.00 0.00 C ATOM 467 O ALA A 879 -18.114 7.874 -6.989 1.00 0.00 O ATOM 468 CB ALA A 879 -19.548 8.355 -9.773 1.00 0.00 C ATOM 0 H ALA A 879 -21.182 6.617 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.507 6.547 -9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.705 9.026 -9.607 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.567 8.048 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.476 8.872 -9.530 1.00 0.00 H new ATOM 474 N SER A 880 -20.291 7.527 -6.605 1.00 0.00 N ATOM 475 CA SER A 880 -20.224 7.780 -5.154 1.00 0.00 C ATOM 476 C SER A 880 -19.352 6.752 -4.415 1.00 0.00 C ATOM 477 O SER A 880 -18.779 7.070 -3.370 1.00 0.00 O ATOM 478 CB SER A 880 -21.629 7.785 -4.538 1.00 0.00 C ATOM 479 OG SER A 880 -22.414 8.848 -5.060 1.00 0.00 O ATOM 0 H SER A 880 -21.233 7.319 -6.938 1.00 0.00 H new ATOM 0 HA SER A 880 -19.763 8.760 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.121 6.833 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.554 7.882 -3.455 1.00 0.00 H new ATOM 0 HG SER A 880 -23.305 8.827 -4.652 1.00 0.00 H new ATOM 485 N VAL A 881 -19.197 5.540 -4.968 1.00 0.00 N ATOM 486 CA VAL A 881 -18.258 4.522 -4.472 1.00 0.00 C ATOM 487 C VAL A 881 -16.885 4.707 -5.099 1.00 0.00 C ATOM 488 O VAL A 881 -15.884 4.641 -4.391 1.00 0.00 O ATOM 489 CB VAL A 881 -18.809 3.097 -4.698 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.844 1.979 -4.282 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.106 2.885 -3.906 1.00 0.00 C ATOM 0 H VAL A 881 -19.728 5.235 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.147 4.653 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.971 3.033 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.306 1.010 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.922 2.061 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.618 2.070 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.477 1.875 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.909 3.022 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.854 3.607 -4.233 1.00 0.00 H new ATOM 501 N VAL A 882 -16.807 5.033 -6.394 1.00 0.00 N ATOM 502 CA VAL A 882 -15.499 5.207 -7.060 1.00 0.00 C ATOM 503 C VAL A 882 -14.721 6.426 -6.532 1.00 0.00 C ATOM 504 O VAL A 882 -13.497 6.478 -6.638 1.00 0.00 O ATOM 505 CB VAL A 882 -15.622 5.195 -8.600 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.667 6.578 -9.260 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.445 4.435 -9.226 1.00 0.00 C ATOM 0 H VAL A 882 -17.615 5.181 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.899 4.337 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.580 4.709 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.754 6.463 -10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.527 7.133 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.753 7.123 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.547 4.436 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.509 4.921 -8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.441 3.407 -8.863 1.00 0.00 H new ATOM 517 N GLY A 883 -15.426 7.382 -5.915 1.00 0.00 N ATOM 518 CA GLY A 883 -14.847 8.525 -5.197 1.00 0.00 C ATOM 519 C GLY A 883 -14.438 8.220 -3.747 1.00 0.00 C ATOM 520 O GLY A 883 -13.608 8.933 -3.181 1.00 0.00 O ATOM 0 H GLY A 883 -16.446 7.382 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.971 8.876 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.569 9.341 -5.194 1.00 0.00 H new ATOM 524 N SER A 884 -14.996 7.163 -3.145 1.00 0.00 N ATOM 525 CA SER A 884 -14.644 6.675 -1.800 1.00 0.00 C ATOM 526 C SER A 884 -13.443 5.713 -1.833 1.00 0.00 C ATOM 527 O SER A 884 -12.530 5.821 -1.011 1.00 0.00 O ATOM 528 CB SER A 884 -15.870 5.991 -1.181 1.00 0.00 C ATOM 529 OG SER A 884 -15.607 5.543 0.139 1.00 0.00 O ATOM 0 H SER A 884 -15.726 6.606 -3.590 1.00 0.00 H new ATOM 0 HA SER A 884 -14.347 7.527 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.709 6.687 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.167 5.145 -1.801 1.00 0.00 H new ATOM 0 HG SER A 884 -16.409 5.114 0.505 1.00 0.00 H new ATOM 535 N ILE A 885 -13.421 4.805 -2.815 1.00 0.00 N ATOM 536 CA ILE A 885 -12.332 3.852 -3.079 1.00 0.00 C ATOM 537 C ILE A 885 -11.080 4.609 -3.565 1.00 0.00 C ATOM 538 O ILE A 885 -11.159 5.492 -4.421 1.00 0.00 O ATOM 539 CB ILE A 885 -12.839 2.757 -4.058 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.589 1.599 -3.352 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.732 2.092 -4.890 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.708 2.032 -2.399 1.00 0.00 C ATOM 0 H ILE A 885 -14.192 4.708 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.029 3.336 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.509 3.323 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.015 0.945 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.865 1.007 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.172 1.341 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.225 2.847 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.013 1.616 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.170 1.150 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.292 2.658 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.459 2.596 -2.952 1.00 0.00 H new ATOM 554 N ASP A 886 -9.917 4.264 -3.009 1.00 0.00 N ATOM 555 CA ASP A 886 -8.631 4.952 -3.207 1.00 0.00 C ATOM 556 C ASP A 886 -7.443 3.971 -3.203 1.00 0.00 C ATOM 557 O ASP A 886 -7.602 2.770 -2.979 1.00 0.00 O ATOM 558 CB ASP A 886 -8.461 6.000 -2.082 1.00 0.00 C ATOM 559 CG ASP A 886 -7.534 7.192 -2.405 1.00 0.00 C ATOM 560 OD1 ASP A 886 -6.964 7.270 -3.520 1.00 0.00 O ATOM 561 OD2 ASP A 886 -7.366 8.071 -1.526 1.00 0.00 O1- ATOM 0 H ASP A 886 -9.838 3.464 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 886 -8.639 5.434 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -9.445 6.390 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -8.076 5.495 -1.196 1.00 0.00 H new ATOM 566 N GLU A 887 -6.224 4.482 -3.381 1.00 0.00 N ATOM 567 CA GLU A 887 -4.979 3.718 -3.207 1.00 0.00 C ATOM 568 C GLU A 887 -4.795 3.167 -1.776 1.00 0.00 C ATOM 569 O GLU A 887 -4.045 2.207 -1.578 1.00 0.00 O ATOM 570 CB GLU A 887 -3.770 4.593 -3.576 1.00 0.00 C ATOM 571 CG GLU A 887 -3.781 5.044 -5.042 1.00 0.00 C ATOM 572 CD GLU A 887 -2.401 5.579 -5.483 1.00 0.00 C ATOM 573 OE1 GLU A 887 -1.905 6.573 -4.898 1.00 0.00 O ATOM 574 OE2 GLU A 887 -1.801 5.008 -6.427 1.00 0.00 O1- ATOM 0 H GLU A 887 -6.067 5.452 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 887 -5.049 2.859 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 887 -3.755 5.472 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 887 -2.853 4.037 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 887 -4.068 4.207 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 887 -4.534 5.821 -5.179 1.00 0.00 H new ATOM 581 N SER A 888 -5.483 3.743 -0.779 1.00 0.00 N ATOM 582 CA SER A 888 -5.513 3.240 0.606 1.00 0.00 C ATOM 583 C SER A 888 -6.569 2.143 0.841 1.00 0.00 C ATOM 584 O SER A 888 -6.521 1.451 1.863 1.00 0.00 O ATOM 585 CB SER A 888 -5.751 4.412 1.566 1.00 0.00 C ATOM 586 OG SER A 888 -6.995 5.043 1.299 1.00 0.00 O ATOM 0 H SER A 888 -6.044 4.585 -0.913 1.00 0.00 H new ATOM 0 HA SER A 888 -4.545 2.776 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 888 -5.735 4.053 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 888 -4.943 5.137 1.468 1.00 0.00 H new ATOM 0 HG SER A 888 -7.126 5.786 1.924 1.00 0.00 H new ATOM 592 N SER A 889 -7.518 1.964 -0.086 1.00 0.00 N ATOM 593 CA SER A 889 -8.618 0.992 0.004 1.00 0.00 C ATOM 594 C SER A 889 -8.213 -0.430 -0.409 1.00 0.00 C ATOM 595 O SER A 889 -7.202 -0.648 -1.084 1.00 0.00 O ATOM 596 CB SER A 889 -9.800 1.445 -0.866 1.00 0.00 C ATOM 597 OG SER A 889 -10.215 2.753 -0.515 1.00 0.00 O ATOM 0 H SER A 889 -7.543 2.509 -0.948 1.00 0.00 H new ATOM 0 HA SER A 889 -8.902 0.957 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 889 -9.513 1.420 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 889 -10.632 0.751 -0.746 1.00 0.00 H new ATOM 0 HG SER A 889 -11.151 2.732 -0.225 1.00 0.00 H new ATOM 603 N ARG A 890 -9.060 -1.403 -0.045 1.00 0.00 N ATOM 604 CA ARG A 890 -9.015 -2.804 -0.499 1.00 0.00 C ATOM 605 C ARG A 890 -10.430 -3.299 -0.828 1.00 0.00 C ATOM 606 O ARG A 890 -11.066 -3.989 -0.033 1.00 0.00 O ATOM 607 CB ARG A 890 -8.231 -3.686 0.499 1.00 0.00 C ATOM 608 CG ARG A 890 -8.648 -3.570 1.978 1.00 0.00 C ATOM 609 CD ARG A 890 -7.814 -4.514 2.851 1.00 0.00 C ATOM 610 NE ARG A 890 -8.198 -4.414 4.273 1.00 0.00 N ATOM 611 CZ ARG A 890 -7.672 -5.088 5.281 1.00 0.00 C ATOM 612 NH1 ARG A 890 -6.711 -5.953 5.111 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -8.105 -4.903 6.494 1.00 0.00 N ATOM 0 H ARG A 890 -9.829 -1.230 0.602 1.00 0.00 H new ATOM 0 HA ARG A 890 -8.454 -2.877 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.336 -4.727 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.173 -3.436 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.519 -2.543 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -9.706 -3.809 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -7.946 -5.540 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.756 -4.275 2.741 1.00 0.00 H new ATOM 0 HE ARG A 890 -8.945 -3.758 4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.341 -6.127 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -6.329 -6.455 5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -8.855 -4.235 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -7.695 -5.426 7.267 1.00 0.00 H new ATOM 627 N TRP A 891 -10.957 -2.874 -1.977 1.00 0.00 N ATOM 628 CA TRP A 891 -12.303 -3.252 -2.423 1.00 0.00 C ATOM 629 C TRP A 891 -12.299 -4.711 -2.895 1.00 0.00 C ATOM 630 O TRP A 891 -11.438 -5.093 -3.687 1.00 0.00 O ATOM 631 CB TRP A 891 -12.804 -2.305 -3.521 1.00 0.00 C ATOM 632 CG TRP A 891 -14.264 -2.437 -3.827 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.201 -1.583 -3.370 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.001 -3.470 -4.560 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.451 -1.964 -3.798 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.397 -3.161 -4.476 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.648 -4.650 -5.254 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.389 -4.003 -4.991 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.638 -5.509 -5.769 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.999 -5.197 -5.614 1.00 0.00 C ATOM 0 H TRP A 891 -10.465 -2.259 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.994 -3.163 -1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.599 -1.278 -3.220 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.235 -2.490 -4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.998 -0.720 -2.754 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.305 -1.431 -3.635 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.605 -4.896 -5.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.433 -3.739 -4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.349 -6.412 -6.286 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.751 -5.882 -5.978 1.00 0.00 H new ATOM 651 N ILE A 892 -13.237 -5.532 -2.415 1.00 0.00 N ATOM 652 CA ILE A 892 -13.319 -6.968 -2.738 1.00 0.00 C ATOM 653 C ILE A 892 -14.765 -7.453 -2.893 1.00 0.00 C ATOM 654 O ILE A 892 -15.697 -6.830 -2.373 1.00 0.00 O ATOM 655 CB ILE A 892 -12.578 -7.816 -1.676 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.272 -7.743 -0.301 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.089 -7.441 -1.566 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.871 -8.885 0.631 1.00 0.00 C ATOM 0 H ILE A 892 -13.973 -5.218 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.829 -7.100 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.625 -8.850 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.028 -6.792 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.352 -7.760 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.612 -8.063 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.601 -7.602 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.998 -6.392 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.392 -8.778 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.139 -9.838 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.795 -8.855 0.802 1.00 0.00 H new ATOM 670 N CYS A 893 -14.946 -8.626 -3.504 1.00 0.00 N ATOM 671 CA CYS A 893 -16.235 -9.294 -3.626 1.00 0.00 C ATOM 672 C CYS A 893 -16.993 -9.417 -2.279 1.00 0.00 C ATOM 673 O CYS A 893 -18.185 -9.126 -2.240 1.00 0.00 O ATOM 674 CB CYS A 893 -16.044 -10.660 -4.300 1.00 0.00 C ATOM 675 SG CYS A 893 -15.182 -10.556 -5.904 1.00 0.00 S ATOM 0 H CYS A 893 -14.182 -9.145 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.871 -8.670 -4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.479 -11.311 -3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.019 -11.124 -4.448 1.00 0.00 H new ATOM 680 N MET A 894 -16.341 -9.816 -1.174 1.00 0.00 N ATOM 681 CA MET A 894 -17.046 -10.027 0.108 1.00 0.00 C ATOM 682 C MET A 894 -17.663 -8.722 0.670 1.00 0.00 C ATOM 683 O MET A 894 -18.639 -8.754 1.421 1.00 0.00 O ATOM 684 CB MET A 894 -16.079 -10.679 1.111 1.00 0.00 C ATOM 685 CG MET A 894 -16.713 -11.087 2.449 1.00 0.00 C ATOM 686 SD MET A 894 -18.058 -12.306 2.371 1.00 0.00 S ATOM 687 CE MET A 894 -17.153 -13.769 1.790 1.00 0.00 C ATOM 0 H MET A 894 -15.338 -9.998 -1.139 1.00 0.00 H new ATOM 0 HA MET A 894 -17.889 -10.696 -0.068 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.641 -11.563 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.262 -9.985 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 894 -15.928 -11.486 3.091 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.095 -10.188 2.934 1.00 0.00 H new ATOM 0 HE1 MET A 894 -17.818 -14.633 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 894 -16.789 -13.594 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.308 -13.960 2.451 1.00 0.00 H new ATOM 697 N ASN A 895 -17.117 -7.565 0.275 1.00 0.00 N ATOM 698 CA ASN A 895 -17.604 -6.223 0.623 1.00 0.00 C ATOM 699 C ASN A 895 -18.733 -5.720 -0.310 1.00 0.00 C ATOM 700 O ASN A 895 -19.393 -4.729 0.008 1.00 0.00 O ATOM 701 CB ASN A 895 -16.378 -5.277 0.689 1.00 0.00 C ATOM 702 CG ASN A 895 -16.441 -4.047 -0.208 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.573 -2.919 0.243 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.331 -4.226 -1.503 1.00 0.00 N ATOM 0 H ASN A 895 -16.289 -7.537 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.086 -6.250 1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.254 -4.946 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.487 -5.849 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.356 -3.424 -2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.221 -5.167 -1.880 1.00 0.00 H new ATOM 711 N ASN A 896 -18.939 -6.374 -1.460 1.00 0.00 N ATOM 712 CA ASN A 896 -19.868 -5.948 -2.511 1.00 0.00 C ATOM 713 C ASN A 896 -21.305 -5.764 -1.986 1.00 0.00 C ATOM 714 O ASN A 896 -21.860 -6.627 -1.301 1.00 0.00 O ATOM 715 CB ASN A 896 -19.828 -6.965 -3.669 1.00 0.00 C ATOM 716 CG ASN A 896 -20.658 -6.599 -4.886 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.195 -5.514 -5.035 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.819 -7.525 -5.798 1.00 0.00 N ATOM 0 H ASN A 896 -18.449 -7.239 -1.690 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.547 -4.971 -2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.792 -7.093 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.169 -7.930 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.389 -7.335 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.375 -8.436 -5.684 1.00 0.00 H new ATOM 725 N SER A 897 -21.916 -4.650 -2.382 1.00 0.00 N ATOM 726 CA SER A 897 -23.336 -4.337 -2.169 1.00 0.00 C ATOM 727 C SER A 897 -24.290 -5.389 -2.746 1.00 0.00 C ATOM 728 O SER A 897 -25.287 -5.753 -2.120 1.00 0.00 O ATOM 729 CB SER A 897 -23.652 -3.013 -2.868 1.00 0.00 C ATOM 730 OG SER A 897 -23.045 -1.927 -2.183 1.00 0.00 O ATOM 0 H SER A 897 -21.421 -3.909 -2.879 1.00 0.00 H new ATOM 0 HA SER A 897 -23.488 -4.299 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.295 -3.045 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.731 -2.866 -2.909 1.00 0.00 H new ATOM 0 HG SER A 897 -23.257 -1.089 -2.645 1.00 0.00 H new ATOM 736 N ASP A 898 -23.995 -5.863 -3.955 1.00 0.00 N ATOM 737 CA ASP A 898 -24.852 -6.776 -4.718 1.00 0.00 C ATOM 738 C ASP A 898 -24.603 -8.241 -4.336 1.00 0.00 C ATOM 739 O ASP A 898 -23.663 -8.882 -4.809 1.00 0.00 O ATOM 740 CB ASP A 898 -24.669 -6.585 -6.233 1.00 0.00 C ATOM 741 CG ASP A 898 -24.712 -5.129 -6.728 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.528 -4.319 -6.226 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.941 -4.813 -7.666 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.134 -5.619 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.882 -6.529 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.713 -7.021 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.446 -7.149 -6.749 1.00 0.00 H new ATOM 748 N LYS A 899 -25.500 -8.800 -3.523 1.00 0.00 N ATOM 749 CA LYS A 899 -25.435 -10.169 -2.972 1.00 0.00 C ATOM 750 C LYS A 899 -25.428 -11.273 -4.045 1.00 0.00 C ATOM 751 O LYS A 899 -24.981 -12.389 -3.781 1.00 0.00 O ATOM 752 CB LYS A 899 -26.600 -10.374 -1.984 1.00 0.00 C ATOM 753 CG LYS A 899 -26.575 -9.408 -0.786 1.00 0.00 C ATOM 754 CD LYS A 899 -25.665 -9.927 0.331 1.00 0.00 C ATOM 755 CE LYS A 899 -26.353 -11.052 1.115 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.484 -11.576 2.202 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.330 -8.296 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.479 -10.261 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.543 -10.252 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.574 -11.399 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.228 -8.428 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.586 -9.276 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.731 -10.293 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.409 -9.111 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.285 -10.681 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.614 -11.863 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.982 -12.335 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.605 -11.953 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.256 -10.808 2.865 1.00 0.00 H new ATOM 770 N ARG A 900 -25.858 -10.941 -5.269 1.00 0.00 N ATOM 771 CA ARG A 900 -25.770 -11.777 -6.484 1.00 0.00 C ATOM 772 C ARG A 900 -24.331 -12.021 -6.952 1.00 0.00 C ATOM 773 O ARG A 900 -24.065 -13.021 -7.617 1.00 0.00 O ATOM 774 CB ARG A 900 -26.549 -11.079 -7.614 1.00 0.00 C ATOM 775 CG ARG A 900 -28.076 -11.036 -7.426 1.00 0.00 C ATOM 776 CD ARG A 900 -28.723 -12.428 -7.439 1.00 0.00 C ATOM 777 NE ARG A 900 -30.194 -12.335 -7.363 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.051 -13.341 -7.393 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.663 -14.581 -7.499 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.332 -13.117 -7.319 1.00 0.00 N ATOM 0 H ARG A 900 -26.299 -10.040 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.193 -12.751 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.182 -10.057 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.329 -11.586 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.306 -10.544 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.517 -10.429 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.436 -12.956 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.349 -13.013 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.590 -11.399 -7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.669 -14.801 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.353 -15.331 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.679 -12.161 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -32.988 -13.897 -7.343 1.00 0.00 H new ATOM 794 N PHE A 901 -23.413 -11.120 -6.598 1.00 0.00 N ATOM 795 CA PHE A 901 -22.016 -11.107 -7.047 1.00 0.00 C ATOM 796 C PHE A 901 -21.003 -10.820 -5.911 1.00 0.00 C ATOM 797 O PHE A 901 -19.898 -10.340 -6.162 1.00 0.00 O ATOM 798 CB PHE A 901 -21.857 -10.113 -8.217 1.00 0.00 C ATOM 799 CG PHE A 901 -22.922 -10.114 -9.303 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.971 -9.173 -9.265 1.00 0.00 C ATOM 801 CD2 PHE A 901 -22.847 -11.015 -10.381 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.947 -9.154 -10.278 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.821 -10.999 -11.395 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.876 -10.073 -11.339 1.00 0.00 C ATOM 0 H PHE A 901 -23.629 -10.349 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.777 -12.113 -7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.808 -9.108 -7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.895 -10.307 -8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.026 -8.463 -8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.035 -11.725 -10.430 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -25.751 -8.433 -10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.758 -11.698 -12.216 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.632 -10.067 -12.111 1.00 0.00 H new ATOM 814 N ALA A 902 -21.379 -11.052 -4.651 1.00 0.00 N ATOM 815 CA ALA A 902 -20.623 -10.690 -3.447 1.00 0.00 C ATOM 816 C ALA A 902 -19.727 -11.810 -2.877 1.00 0.00 C ATOM 817 O ALA A 902 -19.525 -11.915 -1.666 1.00 0.00 O ATOM 818 CB ALA A 902 -21.590 -10.088 -2.414 1.00 0.00 C ATOM 0 H ALA A 902 -22.259 -11.519 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.891 -9.935 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.038 -9.815 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.063 -9.200 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.355 -10.822 -2.161 1.00 0.00 H new ATOM 824 N ASP A 903 -19.164 -12.639 -3.755 1.00 0.00 N ATOM 825 CA ASP A 903 -18.159 -13.653 -3.429 1.00 0.00 C ATOM 826 C ASP A 903 -17.168 -13.824 -4.583 1.00 0.00 C ATOM 827 O ASP A 903 -17.557 -13.800 -5.753 1.00 0.00 O ATOM 828 CB ASP A 903 -18.806 -15.008 -3.107 1.00 0.00 C ATOM 829 CG ASP A 903 -19.790 -15.013 -1.922 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.330 -15.175 -0.766 1.00 0.00 O ATOM 831 OD2 ASP A 903 -21.024 -14.954 -2.146 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.402 -12.624 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.628 -13.305 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.333 -15.358 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.014 -15.728 -2.901 1.00 0.00 H new ATOM 836 N CYS A 904 -15.905 -14.120 -4.272 1.00 0.00 N ATOM 837 CA CYS A 904 -14.893 -14.493 -5.256 1.00 0.00 C ATOM 838 C CYS A 904 -15.327 -15.726 -6.111 1.00 0.00 C ATOM 839 O CYS A 904 -14.824 -15.920 -7.220 1.00 0.00 O ATOM 840 CB CYS A 904 -13.564 -14.679 -4.500 1.00 0.00 C ATOM 841 SG CYS A 904 -13.029 -13.140 -3.649 1.00 0.00 S ATOM 0 H CYS A 904 -15.553 -14.107 -3.315 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.763 -13.706 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.674 -15.478 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.790 -14.993 -5.201 1.00 0.00 H new ATOM 846 N SER A 905 -16.306 -16.506 -5.631 1.00 0.00 N ATOM 847 CA SER A 905 -16.893 -17.677 -6.305 1.00 0.00 C ATOM 848 C SER A 905 -18.095 -17.358 -7.215 1.00 0.00 C ATOM 849 O SER A 905 -18.446 -18.176 -8.068 1.00 0.00 O ATOM 850 CB SER A 905 -17.350 -18.701 -5.258 1.00 0.00 C ATOM 851 OG SER A 905 -16.293 -19.057 -4.378 1.00 0.00 O ATOM 0 H SER A 905 -16.731 -16.331 -4.720 1.00 0.00 H new ATOM 0 HA SER A 905 -16.101 -18.067 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.179 -18.289 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.723 -19.594 -5.760 1.00 0.00 H new ATOM 0 HG SER A 905 -16.618 -19.709 -3.723 1.00 0.00 H new ATOM 857 N LYS A 906 -18.749 -16.196 -7.040 1.00 0.00 N ATOM 858 CA LYS A 906 -19.922 -15.763 -7.835 1.00 0.00 C ATOM 859 C LYS A 906 -19.602 -15.402 -9.301 1.00 0.00 C ATOM 860 O LYS A 906 -18.445 -15.395 -9.721 1.00 0.00 O ATOM 861 CB LYS A 906 -20.591 -14.568 -7.131 1.00 0.00 C ATOM 862 CG LYS A 906 -21.597 -14.869 -6.009 1.00 0.00 C ATOM 863 CD LYS A 906 -22.795 -15.756 -6.395 1.00 0.00 C ATOM 864 CE LYS A 906 -22.562 -17.232 -6.036 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.740 -18.072 -6.382 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.476 -15.516 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.595 -16.619 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.803 -13.940 -6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.103 -13.976 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.063 -15.350 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.980 -13.922 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.690 -15.397 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.980 -15.669 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.683 -17.601 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.353 -17.319 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.548 -19.062 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.573 -17.735 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.924 -18.008 -7.404 1.00 0.00 H new ATOM 879 N SER A 907 -20.645 -15.059 -10.060 1.00 0.00 N ATOM 880 CA SER A 907 -20.577 -14.630 -11.467 1.00 0.00 C ATOM 881 C SER A 907 -20.136 -13.155 -11.634 1.00 0.00 C ATOM 882 O SER A 907 -19.660 -12.529 -10.682 1.00 0.00 O ATOM 883 CB SER A 907 -21.938 -14.933 -12.118 1.00 0.00 C ATOM 884 OG SER A 907 -21.875 -14.834 -13.531 1.00 0.00 O ATOM 0 H SER A 907 -21.600 -15.072 -9.701 1.00 0.00 H new ATOM 0 HA SER A 907 -19.796 -15.191 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 907 -22.261 -15.935 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.687 -14.238 -11.737 1.00 0.00 H new ATOM 0 HG SER A 907 -22.405 -14.066 -13.829 1.00 0.00 H new ATOM 890 N GLN A 908 -20.297 -12.590 -12.834 1.00 0.00 N ATOM 891 CA GLN A 908 -19.990 -11.206 -13.231 1.00 0.00 C ATOM 892 C GLN A 908 -20.987 -10.739 -14.316 1.00 0.00 C ATOM 893 O GLN A 908 -21.439 -11.554 -15.122 1.00 0.00 O ATOM 894 CB GLN A 908 -18.530 -11.161 -13.725 1.00 0.00 C ATOM 895 CG GLN A 908 -17.967 -9.755 -13.969 1.00 0.00 C ATOM 896 CD GLN A 908 -16.451 -9.797 -14.198 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.656 -10.096 -13.321 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.983 -9.512 -15.389 1.00 0.00 N ATOM 0 H GLN A 908 -20.674 -13.126 -13.615 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.095 -10.524 -12.387 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -17.900 -11.666 -12.993 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.459 -11.730 -14.652 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.456 -9.310 -14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.191 -9.117 -13.114 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.623 -9.259 -16.141 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.978 -9.544 -15.563 1.00 0.00 H new ATOM 907 N GLU A 909 -21.351 -9.447 -14.370 1.00 0.00 N ATOM 908 CA GLU A 909 -22.386 -8.959 -15.310 1.00 0.00 C ATOM 909 C GLU A 909 -21.931 -8.934 -16.781 1.00 0.00 C ATOM 910 O GLU A 909 -22.767 -9.026 -17.684 1.00 0.00 O ATOM 911 CB GLU A 909 -22.888 -7.568 -14.888 1.00 0.00 C ATOM 912 CG GLU A 909 -23.861 -7.656 -13.705 1.00 0.00 C ATOM 913 CD GLU A 909 -24.474 -6.281 -13.373 1.00 0.00 C ATOM 914 OE1 GLU A 909 -23.708 -5.367 -12.983 1.00 0.00 O ATOM 915 OE2 GLU A 909 -25.714 -6.116 -13.470 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.948 -8.720 -13.778 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.201 -9.680 -15.254 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.039 -6.941 -14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.382 -7.087 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -24.657 -8.363 -13.939 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.338 -8.043 -12.830 1.00 0.00 H new ATOM 922 N MET A 910 -20.620 -8.853 -17.030 1.00 0.00 N ATOM 923 CA MET A 910 -20.005 -8.998 -18.361 1.00 0.00 C ATOM 924 C MET A 910 -18.670 -9.729 -18.218 1.00 0.00 C ATOM 925 O MET A 910 -17.933 -9.411 -17.288 1.00 0.00 O ATOM 926 CB MET A 910 -19.727 -7.621 -18.985 1.00 0.00 C ATOM 927 CG MET A 910 -20.961 -6.753 -19.237 1.00 0.00 C ATOM 928 SD MET A 910 -20.555 -5.155 -19.995 1.00 0.00 S ATOM 929 CE MET A 910 -22.202 -4.397 -20.001 1.00 0.00 C ATOM 0 H MET A 910 -19.935 -8.680 -16.294 1.00 0.00 H new ATOM 0 HA MET A 910 -20.692 -9.555 -18.999 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.047 -7.075 -18.331 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.208 -7.768 -19.932 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.652 -7.292 -19.885 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.477 -6.581 -18.293 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.142 -3.400 -20.437 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.883 -5.011 -20.591 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.573 -4.324 -18.979 1.00 0.00 H new ATOM 939 N SER A 911 -18.301 -10.651 -19.109 1.00 0.00 N ATOM 940 CA SER A 911 -16.944 -11.239 -19.079 1.00 0.00 C ATOM 941 C SER A 911 -15.894 -10.187 -19.440 1.00 0.00 C ATOM 942 O SER A 911 -16.205 -9.187 -20.087 1.00 0.00 O ATOM 943 CB SER A 911 -16.781 -12.440 -20.014 1.00 0.00 C ATOM 944 OG SER A 911 -17.875 -13.340 -19.920 1.00 0.00 O ATOM 0 H SER A 911 -18.904 -11.007 -19.851 1.00 0.00 H new ATOM 0 HA SER A 911 -16.798 -11.593 -18.059 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.688 -12.089 -21.042 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.857 -12.966 -19.771 1.00 0.00 H new ATOM 0 HG SER A 911 -17.734 -14.092 -20.533 1.00 0.00 H new ATOM 950 N ASN A 912 -14.634 -10.405 -19.056 1.00 0.00 N ATOM 951 CA ASN A 912 -13.593 -9.363 -19.140 1.00 0.00 C ATOM 952 C ASN A 912 -13.356 -8.908 -20.594 1.00 0.00 C ATOM 953 O ASN A 912 -13.121 -7.727 -20.832 1.00 0.00 O ATOM 954 CB ASN A 912 -12.276 -9.820 -18.472 1.00 0.00 C ATOM 955 CG ASN A 912 -12.373 -10.161 -16.991 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.434 -10.262 -16.396 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.251 -10.323 -16.330 1.00 0.00 N ATOM 0 H ASN A 912 -14.304 -11.295 -18.682 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.960 -8.499 -18.585 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.904 -10.695 -19.004 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.534 -9.032 -18.597 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.273 -10.531 -15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.357 -10.241 -16.815 1.00 0.00 H new ATOM 964 N GLU A 913 -13.496 -9.832 -21.552 1.00 0.00 N ATOM 965 CA GLU A 913 -13.420 -9.602 -23.009 1.00 0.00 C ATOM 966 C GLU A 913 -14.652 -8.889 -23.620 1.00 0.00 C ATOM 967 O GLU A 913 -14.638 -8.510 -24.791 1.00 0.00 O ATOM 968 CB GLU A 913 -13.194 -10.958 -23.707 1.00 0.00 C ATOM 969 CG GLU A 913 -14.412 -11.899 -23.652 1.00 0.00 C ATOM 970 CD GLU A 913 -14.091 -13.317 -24.176 1.00 0.00 C ATOM 971 OE1 GLU A 913 -13.488 -13.459 -25.269 1.00 0.00 O ATOM 972 OE2 GLU A 913 -14.466 -14.310 -23.506 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.674 -10.811 -21.326 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.587 -8.918 -23.175 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.932 -10.779 -24.750 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.342 -11.456 -23.245 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.768 -11.967 -22.624 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -15.223 -11.472 -24.242 1.00 0.00 H new ATOM 979 N GLU A 914 -15.736 -8.737 -22.854 1.00 0.00 N ATOM 980 CA GLU A 914 -16.968 -8.035 -23.240 1.00 0.00 C ATOM 981 C GLU A 914 -17.003 -6.616 -22.656 1.00 0.00 C ATOM 982 O GLU A 914 -17.368 -5.670 -23.357 1.00 0.00 O ATOM 983 CB GLU A 914 -18.206 -8.810 -22.757 1.00 0.00 C ATOM 984 CG GLU A 914 -18.293 -10.255 -23.273 1.00 0.00 C ATOM 985 CD GLU A 914 -19.592 -10.957 -22.818 1.00 0.00 C ATOM 986 OE1 GLU A 914 -19.989 -10.829 -21.633 1.00 0.00 O ATOM 987 OE2 GLU A 914 -20.221 -11.662 -23.646 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.783 -9.115 -21.908 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.980 -7.970 -24.328 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.207 -8.826 -21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -19.101 -8.271 -23.069 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -18.244 -10.254 -24.362 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.432 -10.820 -22.916 1.00 0.00 H new ATOM 994 N ILE A 915 -16.597 -6.446 -21.388 1.00 0.00 N ATOM 995 CA ILE A 915 -16.513 -5.122 -20.757 1.00 0.00 C ATOM 996 C ILE A 915 -15.362 -4.287 -21.343 1.00 0.00 C ATOM 997 O ILE A 915 -15.565 -3.165 -21.802 1.00 0.00 O ATOM 998 CB ILE A 915 -16.541 -5.215 -19.207 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.317 -3.863 -18.523 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.551 -6.186 -18.534 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.158 -2.723 -19.075 1.00 0.00 C ATOM 0 H ILE A 915 -16.320 -7.215 -20.777 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.414 -4.562 -21.008 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.548 -5.606 -19.064 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.529 -3.970 -17.459 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.264 -3.596 -18.613 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.682 -6.147 -17.453 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.740 -7.200 -18.886 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.530 -5.898 -18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.932 -1.807 -18.530 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.931 -2.582 -20.132 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.215 -2.962 -18.960 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.152 -4.825 -21.419 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.995 -4.090 -21.954 1.00 0.00 C ATOM 1015 C ASN A 916 -13.213 -3.530 -23.384 1.00 0.00 C ATOM 1016 O ASN A 916 -12.644 -2.496 -23.731 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.722 -4.958 -21.857 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.625 -6.104 -22.867 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.555 -6.464 -23.569 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.469 -6.711 -22.988 1.00 0.00 N ATOM 0 H ASN A 916 -13.937 -5.775 -21.116 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.866 -3.206 -21.329 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.853 -4.312 -21.983 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.665 -5.377 -20.852 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.359 -7.470 -23.661 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.679 -6.424 -22.410 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.082 -4.157 -24.178 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.581 -3.690 -25.478 1.00 0.00 C ATOM 1029 C GLU A 917 -15.529 -2.473 -25.397 1.00 0.00 C ATOM 1030 O GLU A 917 -15.478 -1.602 -26.265 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.298 -4.856 -26.176 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.347 -5.656 -27.081 1.00 0.00 C ATOM 1033 CD GLU A 917 -15.037 -6.764 -27.917 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -16.286 -6.906 -27.902 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -14.319 -7.488 -28.651 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.482 -5.059 -23.918 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.713 -3.351 -26.044 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.728 -5.519 -25.425 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.125 -4.469 -26.771 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.845 -4.966 -27.759 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -13.575 -6.113 -26.462 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.374 -2.377 -24.363 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.237 -1.206 -24.104 1.00 0.00 C ATOM 1044 C GLU A 918 -16.411 0.049 -23.772 1.00 0.00 C ATOM 1045 O GLU A 918 -16.725 1.150 -24.231 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.225 -1.498 -22.949 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.315 -0.425 -22.753 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.189 -0.162 -24.001 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.586 1.007 -24.226 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.520 -1.115 -24.750 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.483 -3.118 -23.670 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.798 -1.014 -25.019 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.707 -2.458 -23.134 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.661 -1.598 -22.022 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.962 -0.729 -21.930 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -18.838 0.509 -22.456 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.339 -0.123 -22.991 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.392 0.942 -22.632 1.00 0.00 C ATOM 1059 C LEU A 919 -13.382 1.233 -23.758 1.00 0.00 C ATOM 1060 O LEU A 919 -12.979 2.380 -23.953 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.661 0.514 -21.351 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.562 0.508 -20.098 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.300 -0.757 -19.289 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.282 1.715 -19.231 1.00 0.00 C ATOM 0 H LEU A 919 -15.099 -1.026 -22.581 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.946 1.867 -22.472 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.247 -0.484 -21.495 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.820 1.186 -21.180 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.603 0.539 -20.421 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.936 -0.761 -18.404 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.522 -1.632 -19.900 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.254 -0.784 -18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.928 1.690 -18.354 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.239 1.701 -18.914 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.477 2.624 -19.800 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.979 0.194 -24.497 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.999 0.251 -25.590 1.00 0.00 C ATOM 1078 C GLY A 920 -10.545 0.202 -25.098 1.00 0.00 C ATOM 1079 O GLY A 920 -9.731 1.040 -25.493 1.00 0.00 O ATOM 0 H GLY A 920 -13.340 -0.748 -24.345 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.174 -0.582 -26.271 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.153 1.167 -26.161 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.232 -0.740 -24.198 1.00 0.00 N ATOM 1084 CA ILE A 921 -8.994 -0.771 -23.392 1.00 0.00 C ATOM 1085 C ILE A 921 -8.305 -2.149 -23.357 1.00 0.00 C ATOM 1086 O ILE A 921 -8.894 -3.179 -23.689 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.274 -0.262 -21.958 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.233 -1.218 -21.217 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.769 1.195 -21.967 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.441 -0.846 -19.752 1.00 0.00 C ATOM 0 H ILE A 921 -10.849 -1.528 -24.001 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.291 -0.102 -23.889 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.337 -0.260 -21.401 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.197 -1.220 -21.725 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.840 -2.233 -21.275 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.956 1.522 -20.944 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.011 1.834 -22.419 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.691 1.262 -22.544 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.125 -1.557 -19.290 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.484 -0.871 -19.231 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.863 0.157 -19.688 1.00 0.00 H new ATOM 1102 N GLY A 922 -7.044 -2.155 -22.913 1.00 0.00 N ATOM 1103 CA GLY A 922 -6.142 -3.315 -22.884 1.00 0.00 C ATOM 1104 C GLY A 922 -6.024 -3.997 -21.514 1.00 0.00 C ATOM 1105 O GLY A 922 -4.924 -4.077 -20.961 1.00 0.00 O ATOM 0 H GLY A 922 -6.602 -1.312 -22.546 1.00 0.00 H new ATOM 0 HA2 GLY A 922 -6.490 -4.048 -23.612 1.00 0.00 H new ATOM 0 HA3 GLY A 922 -5.150 -2.996 -23.203 1.00 0.00 H new ATOM 1109 N GLN A 923 -7.141 -4.474 -20.955 1.00 0.00 N ATOM 1110 CA GLN A 923 -7.152 -5.305 -19.735 1.00 0.00 C ATOM 1111 C GLN A 923 -6.528 -6.699 -19.970 1.00 0.00 C ATOM 1112 O GLN A 923 -6.221 -7.086 -21.099 1.00 0.00 O ATOM 1113 CB GLN A 923 -8.594 -5.422 -19.185 1.00 0.00 C ATOM 1114 CG GLN A 923 -8.767 -4.894 -17.752 1.00 0.00 C ATOM 1115 CD GLN A 923 -8.632 -3.377 -17.611 1.00 0.00 C ATOM 1116 OE1 GLN A 923 -7.924 -2.690 -18.335 1.00 0.00 O ATOM 1117 NE2 GLN A 923 -9.292 -2.783 -16.641 1.00 0.00 N ATOM 0 H GLN A 923 -8.071 -4.296 -21.334 1.00 0.00 H new ATOM 0 HA GLN A 923 -6.530 -4.809 -18.990 1.00 0.00 H new ATOM 0 HB2 GLN A 923 -9.268 -4.876 -19.845 1.00 0.00 H new ATOM 0 HB3 GLN A 923 -8.898 -6.468 -19.214 1.00 0.00 H new ATOM 0 HG2 GLN A 923 -9.748 -5.194 -17.385 1.00 0.00 H new ATOM 0 HG3 GLN A 923 -8.027 -5.372 -17.111 1.00 0.00 H new ATOM 0 HE21 GLN A 923 -9.890 -3.330 -16.022 1.00 0.00 H new ATOM 0 HE22 GLN A 923 -9.206 -1.775 -16.508 1.00 0.00 H new ATOM 1126 N ASP A 924 -6.374 -7.474 -18.892 1.00 0.00 N ATOM 1127 CA ASP A 924 -5.774 -8.824 -18.893 1.00 0.00 C ATOM 1128 C ASP A 924 -6.496 -9.815 -19.826 1.00 0.00 C ATOM 1129 O ASP A 924 -5.866 -10.708 -20.388 1.00 0.00 O ATOM 1130 CB ASP A 924 -5.772 -9.422 -17.472 1.00 0.00 C ATOM 1131 CG ASP A 924 -5.251 -8.504 -16.357 1.00 0.00 C ATOM 1132 OD1 ASP A 924 -5.920 -7.486 -16.059 1.00 0.00 O ATOM 1133 OD2 ASP A 924 -4.265 -8.863 -15.671 1.00 0.00 O1- ATOM 0 H ASP A 924 -6.671 -7.176 -17.963 1.00 0.00 H new ATOM 0 HA ASP A 924 -4.757 -8.688 -19.262 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -6.790 -9.721 -17.223 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -5.167 -10.329 -17.481 1.00 0.00 H new ATOM 1138 N GLU A 925 -7.812 -9.633 -19.991 1.00 0.00 N ATOM 1139 CA GLU A 925 -8.755 -10.362 -20.851 1.00 0.00 C ATOM 1140 C GLU A 925 -8.895 -11.862 -20.541 1.00 0.00 C ATOM 1141 O GLU A 925 -9.960 -12.311 -20.114 1.00 0.00 O ATOM 1142 CB GLU A 925 -8.442 -10.073 -22.327 1.00 0.00 C ATOM 1143 CG GLU A 925 -9.619 -10.462 -23.221 1.00 0.00 C ATOM 1144 CD GLU A 925 -9.428 -9.945 -24.659 1.00 0.00 C ATOM 1145 OE1 GLU A 925 -8.918 -10.701 -25.522 1.00 0.00 O ATOM 1146 OE2 GLU A 925 -9.797 -8.777 -24.931 1.00 0.00 O1- ATOM 0 H GLU A 925 -8.292 -8.897 -19.473 1.00 0.00 H new ATOM 0 HA GLU A 925 -9.749 -9.978 -20.622 1.00 0.00 H new ATOM 0 HB2 GLU A 925 -8.218 -9.014 -22.455 1.00 0.00 H new ATOM 0 HB3 GLU A 925 -7.553 -10.626 -22.629 1.00 0.00 H new ATOM 0 HG2 GLU A 925 -9.725 -11.547 -23.234 1.00 0.00 H new ATOM 0 HG3 GLU A 925 -10.542 -10.057 -22.807 1.00 0.00 H new ATOM 1153 N ALA A 926 -7.811 -12.613 -20.730 1.00 0.00 N ATOM 1154 CA ALA A 926 -7.668 -14.021 -20.348 1.00 0.00 C ATOM 1155 C ALA A 926 -6.204 -14.490 -20.272 1.00 0.00 C ATOM 1156 O ALA A 926 -5.797 -15.086 -19.274 1.00 0.00 O ATOM 1157 CB ALA A 926 -8.445 -14.896 -21.346 1.00 0.00 C ATOM 0 H ALA A 926 -6.970 -12.242 -21.173 1.00 0.00 H new ATOM 0 HA ALA A 926 -8.075 -14.123 -19.342 1.00 0.00 H new ATOM 0 HB1 ALA A 926 -8.342 -15.945 -21.067 1.00 0.00 H new ATOM 0 HB2 ALA A 926 -9.499 -14.618 -21.330 1.00 0.00 H new ATOM 0 HB3 ALA A 926 -8.045 -14.747 -22.349 1.00 0.00 H new ATOM 1163 N ASP A 927 -5.405 -14.216 -21.308 1.00 0.00 N ATOM 1164 CA ASP A 927 -3.990 -14.625 -21.388 1.00 0.00 C ATOM 1165 C ASP A 927 -3.010 -13.704 -20.624 1.00 0.00 C ATOM 1166 O ASP A 927 -1.799 -13.940 -20.649 1.00 0.00 O ATOM 1167 CB ASP A 927 -3.563 -14.859 -22.852 1.00 0.00 C ATOM 1168 CG ASP A 927 -3.504 -13.617 -23.769 1.00 0.00 C ATOM 1169 OD1 ASP A 927 -2.913 -13.729 -24.872 1.00 0.00 O ATOM 1170 OD2 ASP A 927 -4.058 -12.543 -23.436 1.00 0.00 O1- ATOM 0 H ASP A 927 -5.722 -13.698 -22.127 1.00 0.00 H new ATOM 0 HA ASP A 927 -3.926 -15.576 -20.859 1.00 0.00 H new ATOM 0 HB2 ASP A 927 -2.578 -15.325 -22.848 1.00 0.00 H new ATOM 0 HB3 ASP A 927 -4.253 -15.576 -23.296 1.00 0.00 H new ATOM 1175 N ALA A 928 -3.542 -12.695 -19.918 1.00 0.00 N ATOM 1176 CA ALA A 928 -2.845 -11.756 -19.021 1.00 0.00 C ATOM 1177 C ALA A 928 -1.528 -11.154 -19.593 1.00 0.00 C ATOM 1178 O ALA A 928 -0.423 -11.422 -19.061 1.00 0.00 O ATOM 1179 CB ALA A 928 -2.718 -12.407 -17.631 1.00 0.00 C ATOM 1180 OXT ALA A 928 -1.612 -10.354 -20.555 1.00 0.00 O ATOM 0 H ALA A 928 -4.542 -12.498 -19.961 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.453 -10.857 -18.923 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.204 -11.724 -16.955 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -3.711 -12.626 -17.239 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -2.149 -13.333 -17.713 1.00 0.00 H new TER 1186 ALA A 928 ATOM 1187 N ALA B 1 -7.086 -1.725 -6.161 1.00 0.00 N ATOM 1188 CA ALA B 1 -6.881 -2.449 -7.438 1.00 0.00 C ATOM 1189 C ALA B 1 -7.033 -1.514 -8.651 1.00 0.00 C ATOM 1190 O ALA B 1 -7.781 -0.538 -8.599 1.00 0.00 O ATOM 1191 CB ALA B 1 -7.806 -3.665 -7.551 1.00 0.00 C ATOM 0 H1 ALA B 1 -6.614 -2.240 -5.390 1.00 0.00 H new ATOM 0 H2 ALA B 1 -6.684 -0.769 -6.236 1.00 0.00 H new ATOM 0 H3 ALA B 1 -8.104 -1.657 -5.960 1.00 0.00 H new ATOM 0 HA ALA B 1 -5.855 -2.818 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -7.628 -4.171 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -7.605 -4.353 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -8.845 -3.338 -7.504 1.00 0.00 H new ATOM 1199 N ARG B 2 -6.343 -1.826 -9.758 1.00 0.00 N ATOM 1200 CA ARG B 2 -6.453 -1.192 -11.089 1.00 0.00 C ATOM 1201 C ARG B 2 -7.896 -1.223 -11.597 1.00 0.00 C ATOM 1202 O ARG B 2 -8.503 -2.287 -11.595 1.00 0.00 O ATOM 1203 CB ARG B 2 -5.511 -1.981 -12.034 1.00 0.00 C ATOM 1204 CG ARG B 2 -5.723 -1.827 -13.546 1.00 0.00 C ATOM 1205 CD ARG B 2 -5.481 -0.402 -14.063 1.00 0.00 C ATOM 1206 NE ARG B 2 -6.587 0.051 -14.925 1.00 0.00 N ATOM 1207 CZ ARG B 2 -6.825 -0.286 -16.177 1.00 0.00 C ATOM 1208 NH1 ARG B 2 -6.088 -1.129 -16.837 1.00 0.00 N1+ ATOM 1209 NH2 ARG B 2 -7.862 0.213 -16.781 1.00 0.00 N ATOM 0 H ARG B 2 -5.649 -2.574 -9.752 1.00 0.00 H new ATOM 0 HA ARG B 2 -6.167 -0.141 -11.044 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.486 -1.687 -11.808 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -5.600 -3.039 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -5.055 -2.512 -14.069 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -6.742 -2.125 -13.793 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.372 0.279 -13.219 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -4.545 -0.370 -14.621 1.00 0.00 H new ATOM 0 HE ARG B 2 -7.247 0.703 -14.502 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.282 -1.563 -16.387 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.315 -1.356 -17.805 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.480 0.857 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.058 -0.039 -17.750 1.00 0.00 H new ATOM 1223 N THR B 3 -8.427 -0.101 -12.089 1.00 0.00 N ATOM 1224 CA THR B 3 -9.764 -0.047 -12.720 1.00 0.00 C ATOM 1225 C THR B 3 -9.910 1.092 -13.752 1.00 0.00 C ATOM 1226 O THR B 3 -8.912 1.522 -14.331 1.00 0.00 O ATOM 1227 CB THR B 3 -10.861 -0.045 -11.623 1.00 0.00 C ATOM 1228 OG1 THR B 3 -12.119 -0.311 -12.209 1.00 0.00 O ATOM 1229 CG2 THR B 3 -11.005 1.261 -10.842 1.00 0.00 C ATOM 0 H THR B 3 -7.949 0.800 -12.065 1.00 0.00 H new ATOM 0 HA THR B 3 -9.895 -0.949 -13.317 1.00 0.00 H new ATOM 0 HB THR B 3 -10.541 -0.812 -10.918 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.805 0.237 -11.774 1.00 0.00 H new ATOM 0 HG21 THR B 3 -11.798 1.156 -10.101 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.066 1.489 -10.339 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.255 2.070 -11.529 1.00 0.00 H new HETATM 1237 N MLZ B 4 -11.138 1.496 -14.082 1.00 0.00 N HETATM 1238 CA MLZ B 4 -11.538 2.322 -15.227 1.00 0.00 C HETATM 1239 CB MLZ B 4 -11.613 1.344 -16.426 1.00 0.00 C HETATM 1240 CG MLZ B 4 -12.664 0.236 -16.198 1.00 0.00 C HETATM 1241 CD MLZ B 4 -12.007 -1.146 -16.172 1.00 0.00 C HETATM 1242 CE MLZ B 4 -12.863 -2.256 -15.550 1.00 0.00 C HETATM 1243 NZ MLZ B 4 -14.126 -2.546 -16.281 1.00 0.00 N HETATM 1244 CM MLZ B 4 -14.661 -3.759 -15.613 1.00 0.00 C HETATM 1245 C MLZ B 4 -12.896 3.027 -14.968 1.00 0.00 C HETATM 1246 O MLZ B 4 -13.407 3.012 -13.847 1.00 0.00 O HETATM 0 HCM3 MLZ B 4 -13.940 -4.572 -15.703 1.00 0.00 H new HETATM 0 HCM2 MLZ B 4 -14.838 -3.546 -14.559 1.00 0.00 H new HETATM 0 HCM1 MLZ B 4 -15.598 -4.051 -16.086 1.00 0.00 H new HETATM 0 HZ MLZ B 4 -14.531 -2.030 -17.062 1.00 0.00 H new HETATM 0 HG3 MLZ B 4 -13.185 0.412 -15.257 1.00 0.00 H new HETATM 0 HG2 MLZ B 4 -13.413 0.272 -16.989 1.00 0.00 H new HETATM 0 HE3 MLZ B 4 -12.270 -3.169 -15.499 1.00 0.00 H new HETATM 0 HE2 MLZ B 4 -13.107 -1.977 -14.525 1.00 0.00 H new HETATM 0 HD3 MLZ B 4 -11.754 -1.431 -17.193 1.00 0.00 H new HETATM 0 HD2 MLZ B 4 -11.070 -1.077 -15.619 1.00 0.00 H new HETATM 0 HB3 MLZ B 4 -11.860 1.898 -17.332 1.00 0.00 H new HETATM 0 HB2 MLZ B 4 -10.635 0.890 -16.586 1.00 0.00 H new HETATM 0 HA MLZ B 4 -10.829 3.128 -15.416 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.526 3.548 -16.028 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.908 4.033 -16.011 1.00 0.00 C ATOM 1264 C GLN B 5 -15.590 4.032 -17.388 1.00 0.00 C ATOM 1265 O GLN B 5 -15.110 4.642 -18.343 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.989 5.419 -15.367 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.394 6.631 -16.113 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.923 6.479 -16.505 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -12.006 6.701 -15.725 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -12.639 6.087 -17.728 1.00 0.00 N ATOM 0 H GLN B 5 -13.078 3.645 -16.939 1.00 0.00 H new ATOM 0 HA GLN B 5 -15.464 3.318 -15.405 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.041 5.633 -15.180 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.499 5.359 -14.395 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -14.980 6.809 -17.015 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.499 7.515 -15.484 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.391 5.898 -18.390 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -11.667 5.972 -18.014 1.00 0.00 H new ATOM 1279 N THR B 6 -16.731 3.348 -17.473 1.00 0.00 N ATOM 1280 CA THR B 6 -17.550 3.186 -18.689 1.00 0.00 C ATOM 1281 C THR B 6 -18.264 4.466 -19.120 1.00 0.00 C ATOM 1282 O THR B 6 -18.402 4.709 -20.319 1.00 0.00 O ATOM 1283 CB THR B 6 -18.619 2.100 -18.481 1.00 0.00 C ATOM 1284 OG1 THR B 6 -18.962 1.983 -17.114 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.136 0.747 -18.976 1.00 0.00 C ATOM 0 H THR B 6 -17.132 2.869 -16.667 1.00 0.00 H new ATOM 0 HA THR B 6 -16.847 2.906 -19.474 1.00 0.00 H new ATOM 0 HB THR B 6 -19.494 2.403 -19.055 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.519 1.197 -16.732 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.915 0.001 -18.815 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.908 0.809 -20.040 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.238 0.459 -18.429 1.00 0.00 H new ATOM 1293 N ALA B 7 -18.768 5.247 -18.157 1.00 0.00 N ATOM 1294 CA ALA B 7 -19.640 6.420 -18.357 1.00 0.00 C ATOM 1295 C ALA B 7 -20.972 6.134 -19.105 1.00 0.00 C ATOM 1296 O ALA B 7 -21.728 7.055 -19.428 1.00 0.00 O ATOM 1297 CB ALA B 7 -18.821 7.571 -18.963 1.00 0.00 C ATOM 0 H ALA B 7 -18.573 5.074 -17.171 1.00 0.00 H new ATOM 0 HA ALA B 7 -19.995 6.726 -17.373 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -19.465 8.438 -19.111 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -18.008 7.834 -18.287 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -18.408 7.258 -19.922 1.00 0.00 H new ATOM 1303 N ARG B 8 -21.286 4.853 -19.355 1.00 0.00 N ATOM 1304 CA ARG B 8 -22.518 4.343 -19.972 1.00 0.00 C ATOM 1305 C ARG B 8 -23.586 4.195 -18.887 1.00 0.00 C ATOM 1306 O ARG B 8 -23.688 3.148 -18.242 1.00 0.00 O ATOM 1307 CB ARG B 8 -22.194 3.025 -20.712 1.00 0.00 C ATOM 1308 CG ARG B 8 -23.365 2.448 -21.530 1.00 0.00 C ATOM 1309 CD ARG B 8 -23.775 3.350 -22.703 1.00 0.00 C ATOM 1310 NE ARG B 8 -24.840 2.730 -23.516 1.00 0.00 N ATOM 1311 CZ ARG B 8 -25.403 3.240 -24.598 1.00 0.00 C ATOM 1312 NH1 ARG B 8 -25.058 4.403 -25.078 1.00 0.00 N1+ ATOM 1313 NH2 ARG B 8 -26.337 2.586 -25.226 1.00 0.00 N ATOM 0 H ARG B 8 -20.643 4.098 -19.115 1.00 0.00 H new ATOM 0 HA ARG B 8 -22.918 5.032 -20.716 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -21.350 3.196 -21.380 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -21.876 2.281 -19.981 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -23.085 1.467 -21.913 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -24.223 2.301 -20.874 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -24.120 4.311 -22.321 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -22.906 3.550 -23.331 1.00 0.00 H new ATOM 0 HE ARG B 8 -25.175 1.816 -23.212 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -24.332 4.950 -24.616 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -25.514 4.765 -25.915 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -26.639 1.674 -24.884 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -26.767 2.986 -26.060 1.00 0.00 H new ATOM 1327 N TYR B 9 -24.284 5.291 -18.606 1.00 0.00 N ATOM 1328 CA TYR B 9 -25.307 5.411 -17.554 1.00 0.00 C ATOM 1329 C TYR B 9 -26.429 6.396 -17.945 1.00 0.00 C ATOM 1330 O TYR B 9 -26.122 7.553 -18.318 1.00 0.00 O ATOM 1331 CB TYR B 9 -24.624 5.790 -16.227 1.00 0.00 C ATOM 1332 CG TYR B 9 -25.540 5.738 -15.020 1.00 0.00 C ATOM 1333 CD1 TYR B 9 -25.915 4.491 -14.481 1.00 0.00 C ATOM 1334 CD2 TYR B 9 -26.012 6.928 -14.432 1.00 0.00 C ATOM 1335 CE1 TYR B 9 -26.760 4.432 -13.356 1.00 0.00 C ATOM 1336 CE2 TYR B 9 -26.854 6.873 -13.303 1.00 0.00 C ATOM 1337 CZ TYR B 9 -27.230 5.623 -12.762 1.00 0.00 C ATOM 1338 OH TYR B 9 -28.048 5.559 -11.675 1.00 0.00 O ATOM 1339 OXT TYR B 9 -27.614 5.989 -17.928 1.00 0.00 O ATOM 0 H TYR B 9 -24.152 6.160 -19.123 1.00 0.00 H new ATOM 0 HA TYR B 9 -25.801 4.448 -17.427 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -23.782 5.118 -16.060 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -24.215 6.797 -16.316 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -25.554 3.579 -14.932 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -25.728 7.884 -14.847 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -27.049 3.475 -12.947 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -27.212 7.786 -12.851 1.00 0.00 H new ATOM 0 HH TYR B 9 -28.281 6.466 -11.387 1.00 0.00 H new TER 1349 TYR B 9 HETATM 1350 ZN ZN A1001 -12.903 -11.392 -5.447 1.00 0.00 ZN